4-amino-6-methyloxan-3-one;ethane;molecular hydrogen

C8H19NO2 — CID 142239445

IUPAC4-amino-6-methyloxan-3-one;ethane;molecular hydrogen
SMILESCC.CC1CC(N)C(=O)CO1.[H][H]
InChIInChI=1S/C6H11NO2.C2H6.H2/c1-4-2-5(7)6(8)3-9-4;1-2;/h4-5H,2-3,7H2,1H3;1-2H3;1H
InChIKeyUIZHITVKWHOOAQ-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.96
Rot. Bonds

About 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen

4-amino-6-methyloxan-3-one;ethane;molecular hydrogen (PubChem CID 142239445) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name4-amino-6-methyloxan-3-one;ethane;molecular hydrogen
PubChem CID142239445
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name4-amino-6-methyloxan-3-one;ethane;molecular hydrogen
SMILESCC.CC1CC(N)C(=O)CO1.[H][H]
InChIInChI=1S/C6H11NO2.C2H6.H2/c1-4-2-5(7)6(8)3-9-4;1-2;/h4-5H,2-3,7H2,1H3;1-2H3;1H
InChIKeyUIZHITVKWHOOAQ-UHFFFAOYSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen?
The IUPAC name of 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen (CID 142239445) is 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen.
What is the SMILES notation for 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen?
The canonical SMILES for 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen is CC.CC1CC(N)C(=O)CO1.[H][H].
What is the InChIKey of 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen?
The InChIKey is UIZHITVKWHOOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6.H2/c1-4-2-5(7)6(8)3-9-4;1-2;/h4-5H,2-3,7H2,1H3;1-2H3;1H.
What are the key properties of 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen?
4-amino-6-methyloxan-3-one;ethane;molecular hydrogen has a molecular weight of 161.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyloxan-3-one;ethane;molecular hydrogen is sourced from PubChem (CID 142239445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).